BAS 02169878
TL;DR: BAS 02169878 (CAS 306753-04-8) is a chemical compound with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02169878, BIM-0042222.P001, 6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, A2226/0093784, 11-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H28N2O4 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.6919 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.2049 |
| Heavy Atoms | 34 |
| Complexity | 1249.5159 |
Chemical Identifiers
| CAS Number | 306753-04-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=C(C=CC(=C5)OC)OC)C(=O)C2 |
Product Overview
BAS 02169878 (CAS 306753-04-8), with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol. IUPAC: 6-(2,5-dimethoxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02169878
Property Insights of BAS 02169878
The XLogP value of 5.6919 indicates that BAS 02169878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02169878. Following Lipinski's Rule of Five, BAS 02169878 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02169878?
The CAS number of BAS 02169878 is 306753-04-8.
What is the molecular formula of BAS 02169878?
The molecular formula of BAS 02169878 is C28H28N2O4.
What is the molecular weight of BAS 02169878?
The molecular weight of BAS 02169878 is 456.20 g/mol.
Where can I buy BAS 02169878?
You can request a quote for BAS 02169878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169878?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.